5-(4-bromophenyl)-N-[2-[[(3S)-oxolan-3-yl]methyl]pyrazol-3-yl]thiophene-2-carboxamide

C19H18BrN3O2S — CID 95141081

IUPAC5-(4-bromophenyl)-N-[2-[[(3S)-oxolan-3-yl]methyl]pyrazol-3-yl]thiophene-2-carboxamide
SMILESO=C(Nc1ccnn1C[C@@H]1CCOC1)c1ccc(-c2ccc(Br)cc2)s1
InChIInChI=1S/C19H18BrN3O2S/c20-15-3-1-14(2-4-15)16-5-6-17(26-16)19(24)22-18-7-9-21-23(18)11-13-8-10-25-12-13/h1-7,9,13H,8,10-12H2,(H,22,24)/t13-/m0/s1
InChIKeyGBXLZKNMZYEMEQ-ZDUSSCGKSA-N
MW432.34 g/mol
LogP4.66
Rot. Bonds5

About 5-(4-bromophenyl)-N-[2-[[(3S)-oxolan-3-yl]methyl]pyrazol-3-yl]thiophene-2-carboxamide

5-(4-bromophenyl)-N-[2-[[(3S)-oxolan-3-yl]methyl]pyrazol-3-yl]thiophene-2-carboxamide (PubChem CID 95141081) has the molecular formula C19H18BrN3O2S and a molecular weight of 432.34 g/mol. Its IUPAC name is 5-(4-bromophenyl)-N-[2-[[(3S)-oxolan-3-yl]methyl]pyrazol-3-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(4-bromophenyl)-N-[2-[[(3S)-oxolan-3-yl]methyl]pyrazol-3-yl]thiophene-2-carboxamide
PubChem CID95141081
Molecular FormulaC19H18BrN3O2S
Molecular Weight432.34 g/mol
Exact Mass431.03
IUPAC Name5-(4-bromophenyl)-N-[2-[[(3S)-oxolan-3-yl]methyl]pyrazol-3-yl]thiophene-2-carboxamide
SMILESO=C(Nc1ccnn1C[C@@H]1CCOC1)c1ccc(-c2ccc(Br)cc2)s1
InChIInChI=1S/C19H18BrN3O2S/c20-15-3-1-14(2-4-15)16-5-6-17(26-16)19(24)22-18-7-9-21-23(18)11-13-8-10-25-12-13/h1-7,9,13H,8,10-12H2,(H,22,24)/t13-/m0/s1
InChIKeyGBXLZKNMZYEMEQ-ZDUSSCGKSA-N
XLogP4.66
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.34
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-fluorophenyl)-N-[2-[[(3R)-oxolan-3-yl]methyl]pyrazol-3-yl]thiophene-2-carboxamide
CID 95274554
3,5-difluoro-N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]benzamide
CID 86867525
4-(1,3-dithiolan-2-yl)-N-[2-[[(3R)-oxolan-3-yl]methyl]pyrazol-3-yl]benzamide
CID 97077993
2,5-difluoro-N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]benzamide
CID 86867514
5-(4-chlorophenyl)-N-(2-ethylpyrazol-3-yl)thiophene-2-carboxamide
CID 17462093
2-nitro-N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]benzamide
CID 75405962
N-[2-[[(3S)-oxolan-3-yl]methyl]pyrazol-3-yl]-1,3-dihydroisoindole-2-carboxamide
CID 99713688
1-(2,3-dihydro-1H-inden-2-yl)-3-[2-[[(3S)-oxolan-3-yl]methyl]pyrazol-3-yl]urea
CID 99709604
1-tert-butyl-N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]-5-propan-2-ylpyrazole-3-carboxamide
CID 86867503
3-(2,4-dimethylphenyl)-N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]propanamide
CID 51098799
(E)-3-(3,4-dichlorophenyl)-N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]prop-2-enamide
CID 75364473
1-[2-[[(3R)-oxolan-3-yl]methyl]pyrazol-3-yl]-3-[(2R)-2-(1,3-thiazol-2-yl)propyl]urea
CID 99713787

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-N-[2-[[(3S)-oxolan-3-yl]methyl]pyrazol-3-yl]thiophene-2-carboxamide?
The IUPAC name of 5-(4-bromophenyl)-N-[2-[[(3S)-oxolan-3-yl]methyl]pyrazol-3-yl]thiophene-2-carboxamide (CID 95141081) is 5-(4-bromophenyl)-N-[2-[[(3S)-oxolan-3-yl]methyl]pyrazol-3-yl]thiophene-2-carboxamide.
What is the SMILES notation for 5-(4-bromophenyl)-N-[2-[[(3S)-oxolan-3-yl]methyl]pyrazol-3-yl]thiophene-2-carboxamide?
The canonical SMILES for 5-(4-bromophenyl)-N-[2-[[(3S)-oxolan-3-yl]methyl]pyrazol-3-yl]thiophene-2-carboxamide is O=C(Nc1ccnn1C[C@@H]1CCOC1)c1ccc(-c2ccc(Br)cc2)s1.
What is the InChIKey of 5-(4-bromophenyl)-N-[2-[[(3S)-oxolan-3-yl]methyl]pyrazol-3-yl]thiophene-2-carboxamide?
The InChIKey is GBXLZKNMZYEMEQ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H18BrN3O2S/c20-15-3-1-14(2-4-15)16-5-6-17(26-16)19(24)22-18-7-9-21-23(18)11-13-8-10-25-12-13/h1-7,9,13H,8,10-12H2,(H,22,24)/t13-/m0/s1.
What are the key properties of 5-(4-bromophenyl)-N-[2-[[(3S)-oxolan-3-yl]methyl]pyrazol-3-yl]thiophene-2-carboxamide?
5-(4-bromophenyl)-N-[2-[[(3S)-oxolan-3-yl]methyl]pyrazol-3-yl]thiophene-2-carboxamide has a molecular weight of 432.34 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-N-[2-[[(3S)-oxolan-3-yl]methyl]pyrazol-3-yl]thiophene-2-carboxamide is sourced from PubChem (CID 95141081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).